2-[2-[(Z)-(5-aminotetrazol-1-yl)iminomethyl]phenoxy]-1-morpholin-4-ylethanone

C14H17N7O3 — CID 5426901

IUPAC2-[2-[(Z)-(5-aminotetrazol-1-yl)iminomethyl]phenoxy]-1-morpholin-4-ylethanone
SMILESNc1nnnn1/N=C\c1ccccc1OCC(=O)N1CCOCC1
InChIInChI=1S/C14H17N7O3/c15-14-17-18-19-21(14)16-9-11-3-1-2-4-12(11)24-10-13(22)20-5-7-23-8-6-20/h1-4,9H,5-8,10H2,(H2,15,17,19)/b16-9-
InChIKeyLXXDYZFGDVEWQN-SXGWCWSVSA-N
MW331.34 g/mol
LogP-0.62
Rot. Bonds5

About 2-[2-[(Z)-(5-aminotetrazol-1-yl)iminomethyl]phenoxy]-1-morpholin-4-ylethanone

2-[2-[(Z)-(5-aminotetrazol-1-yl)iminomethyl]phenoxy]-1-morpholin-4-ylethanone (PubChem CID 5426901) has the molecular formula C14H17N7O3 and a molecular weight of 331.34 g/mol. Its IUPAC name is 2-[2-[(Z)-(5-aminotetrazol-1-yl)iminomethyl]phenoxy]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[2-[(Z)-(5-aminotetrazol-1-yl)iminomethyl]phenoxy]-1-morpholin-4-ylethanone
PubChem CID5426901
Molecular FormulaC14H17N7O3
Molecular Weight331.34 g/mol
Exact Mass331.14
IUPAC Name2-[2-[(Z)-(5-aminotetrazol-1-yl)iminomethyl]phenoxy]-1-morpholin-4-ylethanone
SMILESNc1nnnn1/N=C\c1ccccc1OCC(=O)N1CCOCC1
InChIInChI=1S/C14H17N7O3/c15-14-17-18-19-21(14)16-9-11-3-1-2-4-12(11)24-10-13(22)20-5-7-23-8-6-20/h1-4,9H,5-8,10H2,(H2,15,17,19)/b16-9-
InChIKeyLXXDYZFGDVEWQN-SXGWCWSVSA-N
XLogP-0.62
TPSA120.75 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.34
LogP ≤ 5-0.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(Z)-(5-aminotetrazol-1-yl)iminomethyl]phenoxy]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[2-[(Z)-(5-aminotetrazol-1-yl)iminomethyl]phenoxy]-1-morpholin-4-ylethanone (CID 5426901) is 2-[2-[(Z)-(5-aminotetrazol-1-yl)iminomethyl]phenoxy]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[2-[(Z)-(5-aminotetrazol-1-yl)iminomethyl]phenoxy]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[2-[(Z)-(5-aminotetrazol-1-yl)iminomethyl]phenoxy]-1-morpholin-4-ylethanone is Nc1nnnn1/N=C\c1ccccc1OCC(=O)N1CCOCC1.
What is the InChIKey of 2-[2-[(Z)-(5-aminotetrazol-1-yl)iminomethyl]phenoxy]-1-morpholin-4-ylethanone?
The InChIKey is LXXDYZFGDVEWQN-SXGWCWSVSA-N. The full InChI is InChI=1S/C14H17N7O3/c15-14-17-18-19-21(14)16-9-11-3-1-2-4-12(11)24-10-13(22)20-5-7-23-8-6-20/h1-4,9H,5-8,10H2,(H2,15,17,19)/b16-9-.
What are the key properties of 2-[2-[(Z)-(5-aminotetrazol-1-yl)iminomethyl]phenoxy]-1-morpholin-4-ylethanone?
2-[2-[(Z)-(5-aminotetrazol-1-yl)iminomethyl]phenoxy]-1-morpholin-4-ylethanone has a molecular weight of 331.34 g/mol, XLogP of -0.62, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(Z)-(5-aminotetrazol-1-yl)iminomethyl]phenoxy]-1-morpholin-4-ylethanone is sourced from PubChem (CID 5426901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).